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Showing 1–3 of 3 results

Advanced filters: Author: Holly H. Soutter Clear advanced filters

Discovery of a structural class of antibiotics with explainable deep learning

An explainable deep learning model using a chemical substructure-based approach for the exploration of chemical compound libraries identified structural classes of compounds with antibiotic activity and low toxicity.

Felix Wong
Erica J. Zheng
James J. Collins
Research20 Dec 2023
Nature

Volume: 626, P: 177-185
Evaluation of DNA encoded library and machine learning model combinations for hit discovery

Sumaiya Iqbal
Wei Jiang
Holly H. Soutter
ResearchOpen Access02 Apr 2025
npj Drug Discovery

Volume: 2, P: 1-14
Structural insight into allosteric modulation of protease-activated receptor 2

Crystal structures of protease-activated receptor 2 (PAR2) in complex with two different antagonist ligands and with a blocking antibody reveal binding sites that are distinct from those found on PAR1, offering new leads for structure-based drug design.

Robert K. Y. Cheng
Cédric Fiez-Vandal
Niek Dekker
Research26 Apr 2017
Nature

Volume: 545, P: 112-115